- InChI
- InChI=1S/C16H28Cl2O4/c1-4-7-8-9-10-11-21-14(19)16(5-2,6-3)15(20)22-12-13(17)18/h13H,4-12H2,1-3H3
- InChI Key
- PQOKSVSJWIPGKL-UHFFFAOYSA-N
- Formula
- C16H28Cl2O4
- SMILES
-
CCCCCCCOC(=O)C(CC)(CC)C(=O)OCC
(Cl)Cl - Molecular Weight1
- 355.30
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -407.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -908.68 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.61 | kJ/mol | Joback Calculated Property |
| log10WS | -4.92 | Crippen Calculated Property | |
| logPoct/wat | 4.653 | Crippen Calculated Property | |
| McVol | 275.660 | ml/mol | McGowan Calculated Property |
| Pc | 1362.64 | kPa | Joback Calculated Property |
| Inp | [2010.00; 2010.00] |
|
|
| Inp | 2010.00 | NIST | |
| Inp | 2010.00 | NIST | |
| Tboil | 789.25 | K | Joback Calculated Property |
| Tc | 982.56 | K | Joback Calculated Property |
| Tfus | 461.66 | K | Joback Calculated Property |
| Vc | 1.060 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [796.19; 872.96] | J/mol×K | [789.25; 982.56] |
|
| Cp,gas | 796.19 | J/mol×K | 789.25 | Joback Calculated Property |
| Cp,gas | 811.26 | J/mol×K | 821.47 | Joback Calculated Property |
| Cp,gas | 825.38 | J/mol×K | 853.69 | Joback Calculated Property |
| Cp,gas | 838.58 | J/mol×K | 885.91 | Joback Calculated Property |
| Cp,gas | 850.89 | J/mol×K | 918.12 | Joback Calculated Property |
| Cp,gas | 862.34 | J/mol×K | 950.34 | Joback Calculated Property |
| Cp,gas | 872.96 | J/mol×K | 982.56 | Joback Calculated Property |
| η | [0.0000522; 0.0009059] | Pa×s | [461.66; 789.25] |
|
| η | 0.0009059 | Pa×s | 461.66 | Joback Calculated Property |
| η | 0.0004378 | Pa×s | 516.26 | Joback Calculated Property |
| η | 0.0002431 | Pa×s | 570.86 | Joback Calculated Property |
| η | 0.0001496 | Pa×s | 625.45 | Joback Calculated Property |
| η | 0.0000995 | Pa×s | 680.05 | Joback Calculated Property |
| η | 0.0000704 | Pa×s | 734.65 | Joback Calculated Property |
| η | 0.0000522 | Pa×s | 789.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 2,2-dichloroethyl heptyl ester.
Sources
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